[gmx-users] Re: Structure preparation for the simulation

[Dr. Vitaly V. Chaban]

> Dear Gromacs Users!
>
>
> I'd like to know about external software wich could be used for structure
> processing for the futher simulation in Gromacs. Today I've tried one of the
> most popular such software Amber tools but I've forced with problems during
> compilation of it ") So I'm looking for possible analogues )
>
> First of all I'm intresting in software for the addition different CAPing
> groups to N and C termi of my protein.
>
> Is there any plugins for Pymol or VMD for such purposes? I've loked for this
> option in both of that software but couldnot  find
>
>
> Thank you for your help,
>
> James

Among free solutions... maybe this would help:
http://www.chemaxon.com/marvin/sketch/index.php

I don't know molecular editor plugins for VMD, but it would be cool,
if one is accessible.

-- 
Dr. Vitaly V. Chaban, 430 Hutchison Hall, Chem. Dept.
Univ. Rochester, Rochester, New York 14627-0216
THE UNITED STATES OF AMERICA